[2-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methanone;2,2,2-trifluoro-1-[1'-(3-fluoro-4-propan-2-yloxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone

C73H86F13N11O7 — CID 159004245

IUPAC[2-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methanone;2,2,2-trifluoro-1-[1'-(3-fluoro-4-propan-2-yloxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone
SMILESCC(C)Oc1ccc(C(=O)N2CCC3(CC2)c2c(F)cc(C(F)(F)F)n2CCN3C)cc1CO.CC(C)Oc1ccc(C(=O)N2CCC3(CC2)c2cc(C(=O)C(F)(F)F)cn2C(C)(C)CN3C)cc1F.CN1CCn2c(C(F)(F)F)ccc2C12CCN(C(=O)c1cccnc1N1CCC(F)(F)C1)CC2
InChIInChI=1S/C26H31F4N3O3.C24H29F4N3O3.C23H26F5N5O/c1-16(2)36-20-7-6-17(12-19(20)27)23(35)32-10-8-25(9-11-32)21-13-18(22(34)26(28,29)30)14-33(21)24(3,4)15-31(25)5;1-15(2)34-19-5-4-16(12-17(19)14-32)22(33)30-8-6-23(7-9-30)21-18(25)13-20(24(26,27)28)31(21)11-10-29(23)3;1-30-13-14-33-17(4-5-18(33)23(26,27)28)21(30)6-10-31(11-7-21)20(34)16-3-2-9-29-19(16)32-12-8-22(24,25)15-32/h6-7,12-14,16H,8-11,15H2,1-5H3;4-5,12-13,15,32H,6-11,14H2,1-3H3;2-5,9H,6-8,10-15H2,1H3
InChIKeyJRSJBVIYPQOISU-UHFFFAOYSA-N
MW1476.53 g/mol
LogP12.80
Rot. Bonds10

About [2-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methanone;2,2,2-trifluoro-1-[1'-(3-fluoro-4-propan-2-yloxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone

[2-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methanone;2,2,2-trifluoro-1-[1'-(3-fluoro-4-propan-2-yloxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone (PubChem CID 159004245) has the molecular formula C73H86F13N11O7 and a molecular weight of 1476.53 g/mol. Its IUPAC name is [2-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methanone;2,2,2-trifluoro-1-[1'-(3-fluoro-4-propan-2-yloxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone.

Molecular Properties

Compound Name[2-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methanone;2,2,2-trifluoro-1-[1'-(3-fluoro-4-propan-2-yloxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone
PubChem CID159004245
Molecular FormulaC73H86F13N11O7
Molecular Weight1476.53 g/mol
Exact Mass1475.65
IUPAC Name[2-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methanone;2,2,2-trifluoro-1-[1'-(3-fluoro-4-propan-2-yloxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone
SMILESCC(C)Oc1ccc(C(=O)N2CCC3(CC2)c2c(F)cc(C(F)(F)F)n2CCN3C)cc1CO.CC(C)Oc1ccc(C(=O)N2CCC3(CC2)c2cc(C(=O)C(F)(F)F)cn2C(C)(C)CN3C)cc1F.CN1CCn2c(C(F)(F)F)ccc2C12CCN(C(=O)c1cccnc1N1CCC(F)(F)C1)CC2
InChIInChI=1S/C26H31F4N3O3.C24H29F4N3O3.C23H26F5N5O/c1-16(2)36-20-7-6-17(12-19(20)27)23(35)32-10-8-25(9-11-32)21-13-18(22(34)26(28,29)30)14-33(21)24(3,4)15-31(25)5;1-15(2)34-19-5-4-16(12-17(19)14-32)22(33)30-8-6-23(7-9-30)21-18(25)13-20(24(26,27)28)31(21)11-10-29(23)3;1-30-13-14-33-17(4-5-18(33)23(26,27)28)21(30)6-10-31(11-7-21)20(34)16-3-2-9-29-19(16)32-12-8-22(24,25)15-32/h6-7,12-14,16H,8-11,15H2,1-5H3;4-5,12-13,15,32H,6-11,14H2,1-3H3;2-5,9H,6-8,10-15H2,1H3
InChIKeyJRSJBVIYPQOISU-UHFFFAOYSA-N
XLogP12.80
TPSA157.33 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001476.53
LogP ≤ 512.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Analyze [2-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methanone;2,2,2-trifluoro-1-[1'-(3-fluoro-4-propan-2-yloxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methanone;2,2,2-trifluoro-1-[1'-(3-fluoro-4-propan-2-yloxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone?
The IUPAC name of [2-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methanone;2,2,2-trifluoro-1-[1'-(3-fluoro-4-propan-2-yloxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone (CID 159004245) is [2-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methanone;2,2,2-trifluoro-1-[1'-(3-fluoro-4-propan-2-yloxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone.
What is the SMILES notation for [2-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methanone;2,2,2-trifluoro-1-[1'-(3-fluoro-4-propan-2-yloxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone?
The canonical SMILES for [2-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methanone;2,2,2-trifluoro-1-[1'-(3-fluoro-4-propan-2-yloxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone is CC(C)Oc1ccc(C(=O)N2CCC3(CC2)c2c(F)cc(C(F)(F)F)n2CCN3C)cc1CO.CC(C)Oc1ccc(C(=O)N2CCC3(CC2)c2cc(C(=O)C(F)(F)F)cn2C(C)(C)CN3C)cc1F.CN1CCn2c(C(F)(F)F)ccc2C12CCN(C(=O)c1cccnc1N1CCC(F)(F)C1)CC2.
What is the InChIKey of [2-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methanone;2,2,2-trifluoro-1-[1'-(3-fluoro-4-propan-2-yloxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone?
The InChIKey is JRSJBVIYPQOISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F4N3O3.C24H29F4N3O3.C23H26F5N5O/c1-16(2)36-20-7-6-17(12-19(20)27)23(35)32-10-8-25(9-11-32)21-13-18(22(34)26(28,29)30)14-33(21)24(3,4)15-31(25)5;1-15(2)34-19-5-4-16(12-17(19)14-32)22(33)30-8-6-23(7-9-30)21-18(25)13-20(24(26,27)28)31(21)11-10-29(23)3;1-30-13-14-33-17(4-5-18(33)23(26,27)28)21(30)6-10-31(11-7-21)20(34)16-3-2-9-29-19(16)32-12-8-22(24,25)15-32/h6-7,12-14,16H,8-11,15H2,1-5H3;4-5,12-13,15,32H,6-11,14H2,1-3H3;2-5,9H,6-8,10-15H2,1H3.
What are the key properties of [2-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methanone;2,2,2-trifluoro-1-[1'-(3-fluoro-4-propan-2-yloxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone?
[2-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methanone;2,2,2-trifluoro-1-[1'-(3-fluoro-4-propan-2-yloxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone has a molecular weight of 1476.53 g/mol, XLogP of 12.80, 10 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methanone;2,2,2-trifluoro-1-[1'-(3-fluoro-4-propan-2-yloxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone is sourced from PubChem (CID 159004245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).